(3-bromanyl-4,5-dimethoxy-phenyl)methyl-(4-oxidanylbutyl)azanium

Systemtic Name: (3-bromanyl-4,5-dimethoxy-phenyl)methyl-(4-oxidanylbutyl)azanium Openeye Name: (3-bromo-4,5-dimethoxy-phenyl)methyl-(4-hydroxybutyl)ammonium CAS Name: (3-bromo-4,5-dimethoxyphenyl)methyl-(4-hydroxybutyl)ammonium IUPAC Name: (3-bromo-4,5-dimethoxyphenyl)methyl-(4-hydroxybutyl)azanium Traditional Name: (3-bromo-4,5-dimethoxy-benzyl)-(4-hydroxybutyl)ammonium Formula: C13H21BrNO3+ MolecularWeight: 319.21474

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]CCCCO)Br)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]CCCCO)Br)OC

InChI

InChI=1S/C13H20BrNO3/c1-17-12-8-10(7-11(14)13(12)18-2)9-15-5-3-4-6-16/h7-8,15-16H,3-6,9H2,1-2H3/p+1